1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-phenethyl-thiourea

Systemtic Name: 1-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-phenethyl-thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-phenethyl-thiourea CAS Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-phenethylthiourea IUPAC Name: 1-[1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-phenethylthiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)-3,5-dimethyl-pyrazol-4-yl]-3-phenethyl-thiourea Formula: C21H22ClFN4S MolecularWeight: 416.942583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC=C2Cl)F)C)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClFN4S/c1-14-20(25-21(28)24-12-11-16-7-4-3-5-8-16)15(2)27(26-14)13-17-18(22)9-6-10-19(17)23/h3-10H,11-13H2,1-2H3,(H2,24,25,28)